Geometry & MOs

Info

ID:	245650
PubChem CID:	99455797
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	469.251147
ΔH_f, kcal/mol:	-59.98
Dipole, Da:	3.4
IP(EA), eV:	-9.02(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2=CC=CC=C2CC3=CC=CC=C3

DOS

IR

Vibrations